Information card for entry 1559654

Structure parameters

• Formula: C31 H53 N O3 Si
• Calculated formula: C31 H53 N O3 Si
• SMILES: [C@@](NC(=O)OC(C)(C)C)(C#C[Si](C(C)C)(C(C)C)C(C)C)([C@H](CO)Cc1ccccc1)CCCCC
• Title of publication: Construction of chiral α-<i>tert</i>-amine scaffolds <i>via</i> amine-catalyzed asymmetric Mannich reactions of alkyl-substituted ketimines.
• Authors of publication: Homma, Chihiro; Takeshima, Aika; Kano, Taichi; Maruoka, Keiji
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 4
• Pages of publication: 1445 - 1450
• a: 13.1243 ± 0.0003 Å
• b: 15.2075 ± 0.0003 Å
• c: 16.3433 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3261.92 ± 0.12 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No